TJL0521
 OpenBabel09292510192D

 55 57  0  0  1  0  0  0  0  0999 V2000
  480.5300  117.8200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  505.5600  117.8200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  492.6600  124.7100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  320.1700  138.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  345.1000  138.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  370.0200  139.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  418.8800  139.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  443.8000  138.9200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  468.4000  138.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  493.1000  138.9200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  542.2900  138.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  382.1500  146.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  406.7500  146.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  504.8000  145.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  529.7200  146.2400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  332.6300  146.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  455.9400  146.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  530.1600  160.4500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  542.2900  167.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  542.2900  181.5500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  554.4300  203.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  319.9500  124.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  467.6300  124.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  541.5300  124.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  516.9300  135.3100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  393.7400  138.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  480.4200  148.7600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  554.5300  148.7600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  357.1200  145.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  430.6900  145.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  504.4700  159.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  556.9400  188.1100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  571.1500  210.5200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  541.5300  209.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  236.7000  164.6200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  642.4300   95.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  629.9400  102.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  654.4900  102.4200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  579.9800  116.9700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  605.1800  117.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  629.9400  116.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  654.8100  116.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  592.3700  124.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  642.4300  124.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  567.5000  124.1400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  567.9300  138.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  592.3700  138.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  617.5600  138.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  642.4300  138.6900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  629.9400  145.5300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  580.3100  145.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  645.4700   81.2400    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  614.6300   95.0300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  617.3400  123.4800    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  667.4100  123.8100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  4 16  1  0  0  0  0
  4 22  2  0  0  0  0
  4 35  1  0  0  0  0
  5 16  1  0  0  0  0
  5 29  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7 13  1  0  0  0  0
  7 30  1  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  2  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  6  0  0  0
 10 27  1  0  0  0  0
 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  2  0  0  0  0
 11 28  1  0  0  0  0
 12 26  1  0  0  0  0
 13 26  1  0  0  0  0
 14 25  1  0  0  0  0
 14 31  2  0  0  0  0
 15 18  1  1  0  0  0
 15 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 52  1  0  0  0  0
 37 41  2  0  0  0  0
 37 53  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 45  2  0  0  0  0
 40 43  1  0  0  0  0
 40 54  1  0  0  0  0
 41 44  1  0  0  0  0
 41 54  1  0  0  0  0
 42 44  2  0  0  0  0
 42 55  1  0  0  0  0
 43 47  2  0  0  0  0
 44 49  1  0  0  0  0
 45 46  1  0  0  0  0
 46 51  2  0  0  0  0
 46 28  1  0  0  0  0
 47 51  1  0  0  0  0
 48 50  1  0  0  0  0
 48 54  2  0  0  0  0
 49 50  2  0  0  0  0
M  CHG  1  54   1
M  END
>  <Formula>
C38IN7O9+

$$$$
